MMs02039760 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -0.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 3.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7949 1.4966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0943 2.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 2.2449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 1.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 2.1038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 3.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3648 0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6143 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 0.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8567 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4674 2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9592 2.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8404 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2297 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7378 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3322 1.6132 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 -1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 -1.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 -0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 3.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5598 2.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 0.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 3.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1639 0.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1019 -1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7625 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4478 3.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9346 -0.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2493 -1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END